SCHEMBL4072890

SCHEMBL4072890

COC(=O)[C@H](Cc1ccc(COCc2cccc(N(C)C(=O)OC(C)(C)C)n2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.44
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.42
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41
CTSS P25774 8/20 0.41
CTSK P43235 6/20 0.41
PTPN1 P18031 3/20 0.40
CTSB P07858 2/20 0.40
CTSL P07711 1/20 0.40
ACE P12821 1/20 0.39
EPHX2 P34913 1/20 0.39
BCL2 P10415 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4067205 0.87 KLK5 (0.44) KLK5ITGB1ITGA5CTSSCTSK
SCHEMBL8228529 0.87 KLK5 (0.44) KLK5ITGB1ITGA5CTSSCTSK
SCHEMBL4074572 0.87 KLK5 (0.44) KLK5ITGB1ITGA5CTSSCTSK
SCHEMBL4240416 0.84 KLK5 (0.42) KLK5PPARAPPARGCTSSCTSK
SCHEMBL4240414 0.84 KLK5 (0.42) KLK5PPARAPPARGCTSSCTSK
SCHEMBL4066796 0.83 KLK5 (0.41) KLK5PPARAPPARGITGB1ITGA5
SCHEMBL4541698 0.83 KLK5 (0.41) KLK5PPARAPPARGITGB1ITGA5
SCHEMBL4069200 0.80 ITGB1 (0.43) KLK5ITGB1ITGA5CTSSCTSK
SCHEMBL8227097 0.80 ITGB1 (0.43) KLK5ITGB1ITGA5CTSSCTSK
SCHEMBL4562756 0.79 ITGB1 (0.57) ITGB1ITGA5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049490-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS Astra Zeneca AB (SE) 2009-04-22 EP disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B KLK5 2412/4885PPARA 2485/4885PPARG 2700/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.